m_bse_io/exc_amplitude [ Functions ]

Calculate the amplitude function of the excitonic eigenstate |exc_vec\>
F(w) = \sum_t |<t|exc_vec>|^2 \delta(ww- ene_t) where the sum over t is done
of the full set of transitions used to construct the BS Hamiltoniam.

INPUTS

Bsp<excparam>=Structure storing the parameters of the run.
eig_fname=The name of the file storing the excitonic eigenvectors.
nvec=Number of excitonic states to analyze.
vec_idx(nvec)=List with the indeces of the excitonic states sorted in ascending order.
out_fname=The name of the file where the results are written.

m_bse_io/exc_read_eigen [ Functions ]

eig_fname=The name of the file storing the excitonic eigenvectors.
hsize=Size of the Hamiltonian.
nvec=Number of excitonic states to analyze.
vec_idx(nvec)=List with the indeces of the excitonic states sorted in ascending order.
[Bsp]<excparam>=Structure storing the parameters of the run. If present the
routine will perform additional consistency checks to make sure that
the content of the file is consistent with the present run.

m_bse_io/exc_read_rcblock [ Functions ]

fname=File name.
diago_is_real=.TRUE. if diagonal elements are real (used only if is_resonant==.TRUE.)
nreh(nsppol)=Number of resonant transition for the two spins.
is_resonant=Set to .TRUE. if the block is resonant.
hsize=Dimension of the block.
nsppol=2 for spin polarized systems. 1 otherwise.
my_t1,my_t2=The first and the last colums of the matrix treated by this node.
use_mpio=.TRUE. is MPI-IO routines are used.
comm=MPI communicator.

m_bse_io/exc_write_optme [ Functions ]

Writes the optical matrix elements in the OME.nc file.
Note that this is only available when NetCDF is available

INPUTS

filname=filename used to write the optical matrix elements
minb,maxb=minimum and max band index that have been calculated.
nkbz=Number of points in the full Brillouin zone.
nsppol=Number of independent spin polarizations.
nq=Number of "small" q for optical limit.
opt_cvk=Optical matrix elements to be written

OUTPUT

ierr=return status of the writing process.
=> 0 if everything was ok
=> -1 if NetCDF is not available
=> 1 if NetCDF is available

m_bse_io/offset_in_file [ Functions ]

Return the offset of the matrix element (row_glob,col_glob)
size_glob(2) gives the number of row and column of the global matrix
nsblocks is the number of sublocks, used for nsppol==2 (not used if 1)
sub_block(2,2,nsblocks)= For each subblock the coordinates of the first and last element.